MDAnalysis @mdanalysis.bsky.social
@mdanalysis
A python library to analyze and manipulate molecular dynamics trajectories
ID: 2347871839
https://mdanalysis.org 17-02-2014 03:59:33
361 Tweet
5,5K Followers
40 Following
John Chodera (he/him)
@jchodera
Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: asapdiscovery.org choderalab.org/disclaimer
B. Scott Perrin, Jr.
@bsperrinjr
DMD Advocate (perrinpower.org; restore79.org); Software Engineer; People Leader; Computation Biophysicist (perrinresearch.com)
Molecular Modeling
@molmodelblog
Keep updated with what’s new in the modeling world, read executive summaries of the latest literature and stay in touch with peers.
Titus Brown
@ctitusbrown
I am not a deep man, but I have many shallows. I aspire to be a pro-community culture hacker. orcid.org/0000-0001-6001…. mastodon: @[email protected]. He/him.
Ben Hall
@hall_b_a
Professor in computational cancer biology @UCL interested in disease, mutations & aging. bsky.app/profile/hallbe… Science,code,music,photos
Michael Lerner
@mglerner
Comp biophys @ Earlham: Biomembranes, comp oncology. Reducing distracted hyperbusyness. Decolonizing sylabi. @[email protected] @mglerner.bsky.social
Enthought Inc.
@enthought
Powering #digitaltransformation for science to enable faster discovery and continuous innovation.
Chris Ing
@jsci
Computational Biophysicist, CSO at @proteinqure, @UofT @UWaterloo. Peptides, membrane proteins, molecular dynamics, programming, machine learning. He/Him.
Joshua Adelman
@synapticarbors
former biophysicist turned computational scientist/scientific software engineer in the steel city
Tyler Reddy
@tyler_reddy
Open source developer (SciPy, NumPy, MDAnalysis) | Computational Virologist | Influenza & Dengue Virus Research.
Python Software Foundation
@thepsf
The nonprofit organization behind the Python programming language. For help with Python code: python.org/about/help/ On Mastodon: @[email protected]
Philip Fowler
@philipwfowler
Scientist developing methods to predict antibiotic resistance. Helping @_gpas_ grow. @ModMedMicro staging.bsky.app/profile/philip…
Rafal Wiewiora
@rafwiewiora
Computational Chemist at @RoivantDiscover | @Foldingathome researcher | PhD @choderalab @MSKCancerCenter
Nithyanan Annamalai
@blacksamrat
Scientific Python
@scipytip
Tweets about SciPy (Scientific Python) and related topics from @JohnDCook.
Brady Johnston
@bradyajohnston
moved elsewhere: mstd: [email protected] bsky: @bradyajoh structural biologist, scientific animator, creator of #MolecularNodes, he/him #rstats #b3d
Joshua Adelman
@joshadel
former biophysicist turned computational scientist/scientific software engineer in the steel city. See also @synapticarbors
Jonathan Barnoud
@jbarnoud
Hub
@hsantuz
Ingé dans l'ESR.
William Glass
@w_glass
Scientist | views my own | he/him
R.M.
@rmcgibbo
SciPyConf
@scipyconf
SciPy 2025 Conference for Scientific and Technical Computing topics in Python. Tutorials July 7-8, Conference July 9-11, Sprints July 12-13.
matthieu Chavent
@matth_chavent
away from here
EuroSciPy
@euroscipy
Scientific Python in Europe
NumFOCUS
@numfocus
Our open source scientific software projects are changing the world. We support projects like Pandas, Julia, Jupyter, & NumPy + organize @PyData!
pythoninchemistry
@pychembath
JCTC Papers
@jctc_papers
New papers in J. Chem. Theory Comput. (not affiliated with ACS)
Adrian Mulholland
@adrianmulholla1
Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own, not RTs
David Dotson
@dotsdl
molecules & materials, energy, space; quixotic realist; physicist, entrepreneur, alchemist; opinions my own 🏳️🌈
Milka Kostić, PhD
@milkakostic
Director of @DFCI_ChemBio pursuing innovation, translation & transformation through #chemicalbiology. Opinions and views strictly my own!
Michelle Sahai
@menz_mas
🇹🇹🇨🇦➡️🇬🇧 | CompBiochem | @BrunelUni | @CIHR_IRSC Postdoc @HWeinsteinLab @WeillCornell | @UniofOxford @UofT Alum | #CompChemURG bindingsites.co.uk
MemProtMD
@memprotmd
Adding the missing lipids to membrane protein structures using MD simulations. Developed by @tnewport and maintained by @pstansfeld.
Mireille V. Krier
@mvkrier
Scientist • Chemist 👩🏼🔬 •Software for Pharma/Chemical Industry • Need to know about molecules at the atomic level•Mom of Twins 🇱🇺🇪🇺
Cédric Bouysset
@cedricbouysset
Cheminformatics Research Scientist 👨🔬 PhD in Chemistry 🟦 cbouy.bsky.social
CompChemURG
@compchemurg
Elevating Underrepresented Groups and Allies in Computational Chemistry | #CompChemURG #CompChemEveryone | [email protected]
Lorenz Lab
@lorenz_lab
Chris Lorenz's (@cdlorenz) research group in the Department of Engineering at King's College London. Transitioning to @lorenzlab1.bsky.social
MolSSI
@molssi_nsf
A nexus for science, education & cooperation serving the global community of computational molecular scientists.
Fiona Naughton
@explainedbycats
Computational biochemist. Postdoc @ UCSF in the Grabe lab. @MDAnalysis core developer. Believes everything can be explained using cats.
Lily Wang
@lilyminium
Science lead @openforcefield. Core developer @mdanalysis.PhD student @ourANU in molecular dynamics. @AustAmFulbright alumnus. Noodle lover 🍜 She/her 🏳️🌈
Avner Schlessinger
@schlessingerlab
Computational biologist. Professor. Co-Director of Disease Mechanisms and Therapeutics Training Area @IcahnMountSinai. Opinions are mine. #DrugDesign #AI